SCHEMBL845935

SCHEMBL845935

CCc1ccccc1C(=O)N1CCC[C@H]1C(=O)Nc1ccc(/C=C/c2ccc(NC(=O)[C@@H]3CCCN3C(=O)c3ccccn3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.44
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
DGAT1 O75907 2/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
F2 P00734 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TP53BP1 Q12888 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL845007 0.91 PABPC1 (0.49) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845131 0.91 PABPC1 (0.49) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845048 0.90 DGAT1 (0.50) PABPC1KDM4EGAALMNADGAT1
SCHEMBL845643 0.87 MAPK1 (0.50) PABPC1GAALMNADGAT1ALDH1A1
SCHEMBL845431 0.87 TRPV1 (0.43) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL13272394 0.86 MEN1 (0.47) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL873858 0.85 GAA (0.42) PABPC1KDM4EGAALMNAALDH1A1
SCHEMBL845250 0.85 HCRTR1 (0.46) PABPC1KDM4EGAALMNADGAT1
SCHEMBL844963 0.84 DGAT1 (0.47) PABPC1KDM4EDGAT1ALDH1A1CYP2C9
SCHEMBL13272381 0.82 PABPC1 (0.40) PABPC1KDM4EGAALMNADGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143288-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed